Natural Product: NPC470858

Natural Product ID:  NPC470858
Common Name:   10,11-Dihydro Tremetone
IUPAC Name:   1-[(2R)-2-propan-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
Synonyms:  
Molecular Formula:   C13H16O2
Standard InCHIKey:  SJSDMYAMNRSNKZ-CYBMUJFWSA-N
Standard InCHI:  InChI=1S/C13H16O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,8,13H,7H2,1-3H3/t13-/m1/s1
Canonical SMILES:  CC([C@@H]1Oc2c(C1)cc(cc2)C(=O)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32889 baccharis sp. Species Asteraceae Eukaryota PMID[11929285]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT594 Organism Trifolium pratense Trifolium pratense IC50 = 28600 nM 11170665
NPT594 Organism Trifolium pratense Trifolium pratense GI50 = 27900 nM 12828470
NPT596 Organism Lolium multiflorum Lolium multiflorum IC50 = 31900 nM 12762807
NPT595 Organism Physalis ixocarpa Physalis ixocarpa IC50 = 19100 nM 20035557
NPT596 Organism Lolium multiflorum Lolium multiflorum IC50 = 29300 nM 23806110
NPT595 Organism Physalis ixocarpa Physalis ixocarpa IC50 = 20100 nM 20621474
NPT594 Organism Trifolium pratense Trifolium pratense IC50 = 23200 nM 22194678
NPT364 Organism Lactuca sativa Lactuca sativa IC50 = 17400 nM 22194678
NPT364 Organism Lactuca sativa Lactuca sativa GI50 = 25900 nM DrugMatrix in vitro pharmacology data
NPT364 Organism Lactuca sativa Lactuca sativa IC50 = 17300 nM 23398362
NPT595 Organism Physalis ixocarpa Physalis ixocarpa GI50 = 24700 nM 19615900
NPT596 Organism Lolium multiflorum Lolium multiflorum GI50 = 31500 nM Open TG-GATES in vivo data: Hematology

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC470858 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9831 High Similarity NPC141252
0.9831 High Similarity NPC11799
0.9516 High Similarity NPC196979
0.9516 High Similarity NPC470976
0.9516 High Similarity NPC470977
0.9512 High Similarity NPC66246
0.9512 High Similarity NPC170546
0.9435 High Similarity NPC282230
0.9435 High Similarity NPC183348
0.936 High Similarity NPC15083
0.9355 High Similarity NPC939
0.9134 High Similarity NPC470859
0.9055 High Similarity NPC279596
0.8992 High Similarity NPC247743
0.8968 High Similarity NPC50583
0.881 High Similarity NPC237868
0.8729 High Similarity NPC23332
0.8702 High Similarity NPC209858
0.8667 High Similarity NPC252004
0.8667 High Similarity NPC470856
0.8661 High Similarity NPC474737
0.8644 High Similarity NPC183648
0.8607 High Similarity NPC469954
0.8594 High Similarity NPC37512
0.8593 High Similarity NPC137009
0.8583 High Similarity NPC165556
0.8525 High Similarity NPC470860
0.8485 Intermediate Similarity NPC229646
0.8467 Intermediate Similarity NPC171870
0.8456 Intermediate Similarity NPC37206
0.845 Intermediate Similarity NPC293387
0.8444 Intermediate Similarity NPC233707
0.8444 Intermediate Similarity NPC62735
0.8433 Intermediate Similarity NPC163029
0.8425 Intermediate Similarity NPC474691
0.8421 Intermediate Similarity NPC324117
0.8417 Intermediate Similarity NPC57879
0.8413 Intermediate Similarity NPC314329
0.8409 Intermediate Similarity NPC183103
0.8397 Intermediate Similarity NPC109778
0.8397 Intermediate Similarity NPC245395
0.8387 Intermediate Similarity NPC206007
0.8387 Intermediate Similarity NPC293424
0.8385 Intermediate Similarity NPC125887
0.8385 Intermediate Similarity NPC59502
0.8382 Intermediate Similarity NPC36414
0.837 Intermediate Similarity NPC29638
0.8357 Intermediate Similarity NPC286038
0.8333 Intermediate Similarity NPC239134
0.8333 Intermediate Similarity NPC473982
0.8333 Intermediate Similarity NPC27220
0.8333 Intermediate Similarity NPC164295
0.8321 Intermediate Similarity NPC11566
0.8321 Intermediate Similarity NPC473019
0.832 Intermediate Similarity NPC473767
0.8309 Intermediate Similarity NPC259685
0.8298 Intermediate Similarity NPC14875
0.8298 Intermediate Similarity NPC66991
0.8273 Intermediate Similarity NPC130206
0.8261 Intermediate Similarity NPC184053
0.8261 Intermediate Similarity NPC472409
0.8258 Intermediate Similarity NPC86774
0.8258 Intermediate Similarity NPC327457
0.8254 Intermediate Similarity NPC246214
0.8244 Intermediate Similarity NPC2401
0.824 Intermediate Similarity NPC171023
0.8239 Intermediate Similarity NPC168085
0.8235 Intermediate Similarity NPC156910
0.8235 Intermediate Similarity NPC254741
0.8222 Intermediate Similarity NPC217914
0.8217 Intermediate Similarity NPC473885
0.8217 Intermediate Similarity NPC184219
0.8217 Intermediate Similarity NPC221798
0.8217 Intermediate Similarity NPC471074
0.8214 Intermediate Similarity NPC213900
0.8214 Intermediate Similarity NPC17262
0.8209 Intermediate Similarity NPC55147
0.8203 Intermediate Similarity NPC69403
0.8203 Intermediate Similarity NPC291189
0.8201 Intermediate Similarity NPC254010
0.8189 Intermediate Similarity NPC225245
0.8188 Intermediate Similarity NPC472515
0.8182 Intermediate Similarity NPC104172
0.8182 Intermediate Similarity NPC88886
0.8182 Intermediate Similarity NPC473894
0.8182 Intermediate Similarity NPC317492
0.8175 Intermediate Similarity NPC35744
0.8175 Intermediate Similarity NPC201284
0.8175 Intermediate Similarity NPC253616
0.8169 Intermediate Similarity NPC471285
0.8168 Intermediate Similarity NPC121104
0.8162 Intermediate Similarity NPC46869
0.8162 Intermediate Similarity NPC278832
0.8162 Intermediate Similarity NPC99854
0.8162 Intermediate Similarity NPC64157
0.8156 Intermediate Similarity NPC473015
0.8156 Intermediate Similarity NPC473013
0.8156 Intermediate Similarity NPC470857
0.8154 Intermediate Similarity NPC65041
0.8154 Intermediate Similarity NPC224657
0.8154 Intermediate Similarity NPC2771
0.8154 Intermediate Similarity NPC473626
0.8148 Intermediate Similarity NPC292998
0.8145 Intermediate Similarity NPC205523
0.8145 Intermediate Similarity NPC220540
0.8143 Intermediate Similarity NPC158871
0.8143 Intermediate Similarity NPC147145
0.814 Intermediate Similarity NPC118853
0.8136 Intermediate Similarity NPC38209
0.813 Intermediate Similarity NPC90903
0.813 Intermediate Similarity NPC53953
0.813 Intermediate Similarity NPC279916
0.813 Intermediate Similarity NPC242136
0.8125 Intermediate Similarity NPC472421
0.8125 Intermediate Similarity NPC472406
0.8116 Intermediate Similarity NPC473988
0.8106 Intermediate Similarity NPC473744
0.8106 Intermediate Similarity NPC473907
0.8102 Intermediate Similarity NPC24394
0.8102 Intermediate Similarity NPC268081
0.8102 Intermediate Similarity NPC470397
0.8102 Intermediate Similarity NPC470398
0.8102 Intermediate Similarity NPC472516
0.8102 Intermediate Similarity NPC161196
0.8102 Intermediate Similarity NPC187826
0.8099 Intermediate Similarity NPC190572
0.8099 Intermediate Similarity NPC300267
0.8099 Intermediate Similarity NPC51641
0.8095 Intermediate Similarity NPC152159
0.8095 Intermediate Similarity NPC32298
0.8092 Intermediate Similarity NPC474264
0.8092 Intermediate Similarity NPC475236
0.8092 Intermediate Similarity NPC177925
0.8088 Intermediate Similarity NPC164136
0.8088 Intermediate Similarity NPC236974
0.8088 Intermediate Similarity NPC125269
0.8088 Intermediate Similarity NPC144027
0.8088 Intermediate Similarity NPC470844
0.8085 Intermediate Similarity NPC77794
0.8085 Intermediate Similarity NPC164980
0.8085 Intermediate Similarity NPC221432
0.8085 Intermediate Similarity NPC223812
0.8085 Intermediate Similarity NPC91560
0.8085 Intermediate Similarity NPC150408
0.8085 Intermediate Similarity NPC107177
0.8085 Intermediate Similarity NPC169591
0.8085 Intermediate Similarity NPC68104
0.8085 Intermediate Similarity NPC310130
0.8085 Intermediate Similarity NPC125894
0.8085 Intermediate Similarity NPC149026
0.8085 Intermediate Similarity NPC290038
0.8085 Intermediate Similarity NPC81697
0.8085 Intermediate Similarity NPC175504
0.8085 Intermediate Similarity NPC59522
0.8085 Intermediate Similarity NPC39329
0.8085 Intermediate Similarity NPC85162
0.8085 Intermediate Similarity NPC75049
0.8085 Intermediate Similarity NPC143896
0.8085 Intermediate Similarity NPC257097
0.8085 Intermediate Similarity NPC278249
0.808 Intermediate Similarity NPC59035
0.808 Intermediate Similarity NPC79202
0.8077 Intermediate Similarity NPC89630
0.8074 Intermediate Similarity NPC66158
0.8074 Intermediate Similarity NPC54503
0.8071 Intermediate Similarity NPC22467
0.8069 Intermediate Similarity NPC474744
0.8069 Intermediate Similarity NPC474772
0.8069 Intermediate Similarity NPC472580
0.8069 Intermediate Similarity NPC472423
0.8062 Intermediate Similarity NPC67300
0.806 Intermediate Similarity NPC301717
0.806 Intermediate Similarity NPC477412
0.806 Intermediate Similarity NPC125153
0.8058 Intermediate Similarity NPC139554
0.8058 Intermediate Similarity NPC23257
0.8058 Intermediate Similarity NPC262635
0.8056 Intermediate Similarity NPC39929
0.8056 Intermediate Similarity NPC296030
0.8051 Intermediate Similarity NPC298224
0.8047 Intermediate Similarity NPC97566
0.8043 Intermediate Similarity NPC157855
0.8042 Intermediate Similarity NPC198427
0.8042 Intermediate Similarity NPC130581
0.8042 Intermediate Similarity NPC12148
0.8042 Intermediate Similarity NPC202494
0.8033 Intermediate Similarity NPC473809
0.8031 Intermediate Similarity NPC54243
0.8031 Intermediate Similarity NPC137710
0.803 Intermediate Similarity NPC286683
0.803 Intermediate Similarity NPC49852
0.803 Intermediate Similarity NPC475496
0.8029 Intermediate Similarity NPC471670
0.8029 Intermediate Similarity NPC307401
0.8029 Intermediate Similarity NPC151113
0.8029 Intermediate Similarity NPC60667
0.8029 Intermediate Similarity NPC84699
0.8028 Intermediate Similarity NPC171656
0.8028 Intermediate Similarity NPC235217
0.8028 Intermediate Similarity NPC131579

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC470858 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8583 High Similarity NPD1241 Discontinued
0.8413 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.837 Intermediate Similarity NPD2796 Approved
0.8203 Intermediate Similarity NPD3972 Approved
0.8188 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8162 Intermediate Similarity NPD2799 Discontinued
0.8077 Intermediate Similarity NPD1876 Approved
0.8058 Intermediate Similarity NPD1243 Approved
0.8043 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD2344 Approved
0.8014 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3140 Approved
0.8 Intermediate Similarity NPD3142 Approved
0.7917 Intermediate Similarity NPD920 Approved
0.7902 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD1549 Phase 2
0.7836 Intermediate Similarity NPD6832 Phase 2
0.782 Intermediate Similarity NPD2798 Approved
0.7817 Intermediate Similarity NPD2309 Approved
0.7815 Intermediate Similarity NPD5494 Approved
0.7786 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD1471 Phase 3
0.7778 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7752 Intermediate Similarity NPD1651 Approved
0.7752 Intermediate Similarity NPD5691 Approved
0.7746 Intermediate Similarity NPD4628 Phase 3
0.7737 Intermediate Similarity NPD1240 Approved
0.7721 Intermediate Similarity NPD2313 Discontinued
0.7718 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7705 Intermediate Similarity NPD3134 Approved
0.7692 Intermediate Similarity NPD17 Approved
0.7692 Intermediate Similarity NPD3887 Approved
0.7687 Intermediate Similarity NPD1019 Discontinued
0.7681 Intermediate Similarity NPD6355 Discontinued
0.7674 Intermediate Similarity NPD9545 Approved
0.7667 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7652 Intermediate Similarity NPD9717 Approved
0.7651 Intermediate Similarity NPD6280 Approved
0.7651 Intermediate Similarity NPD6279 Approved
0.7643 Intermediate Similarity NPD1510 Phase 2
0.7626 Intermediate Similarity NPD1607 Approved
0.7612 Intermediate Similarity NPD3266 Approved
0.7612 Intermediate Similarity NPD3267 Approved
0.7603 Intermediate Similarity NPD6273 Approved
0.76 Intermediate Similarity NPD7819 Suspended
0.76 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD2935 Discontinued
0.7586 Intermediate Similarity NPD6799 Approved
0.7584 Intermediate Similarity NPD7411 Suspended
0.7576 Intermediate Similarity NPD1281 Approved
0.7568 Intermediate Similarity NPD7458 Discontinued
0.7566 Intermediate Similarity NPD7075 Discontinued
0.7534 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD6801 Discontinued
0.7519 Intermediate Similarity NPD1608 Approved
0.7518 Intermediate Similarity NPD3748 Approved
0.7517 Intermediate Similarity NPD4380 Phase 2
0.7516 Intermediate Similarity NPD919 Approved
0.75 Intermediate Similarity NPD1358 Approved
0.75 Intermediate Similarity NPD9494 Approved
0.75 Intermediate Similarity NPD7003 Approved
0.7483 Intermediate Similarity NPD2424 Discontinued
0.7482 Intermediate Similarity NPD4307 Phase 2
0.7481 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD2797 Approved
0.7465 Intermediate Similarity NPD4476 Approved
0.7465 Intermediate Similarity NPD4477 Approved
0.7464 Intermediate Similarity NPD3268 Approved
0.7464 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD6798 Discontinued
0.746 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD2684 Approved
0.7431 Intermediate Similarity NPD2800 Approved
0.7429 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD1778 Approved
0.7424 Intermediate Similarity NPD4626 Approved
0.7419 Intermediate Similarity NPD1247 Approved
0.7413 Intermediate Similarity NPD6004 Phase 3
0.7413 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD2353 Approved
0.7413 Intermediate Similarity NPD6005 Phase 3
0.7413 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD6002 Phase 3
0.7413 Intermediate Similarity NPD2346 Discontinued
0.7413 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD8032 Phase 2
0.7407 Intermediate Similarity NPD1283 Approved
0.7405 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD6599 Discontinued
0.7386 Intermediate Similarity NPD3882 Suspended
0.7372 Intermediate Similarity NPD6808 Phase 2
0.7357 Intermediate Similarity NPD2979 Phase 3
0.7353 Intermediate Similarity NPD1203 Approved
0.7339 Intermediate Similarity NPD9697 Approved
0.7333 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD5586 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD2654 Approved
0.7303 Intermediate Similarity NPD1934 Approved
0.7297 Intermediate Similarity NPD4662 Approved
0.7297 Intermediate Similarity NPD4661 Approved
0.7297 Intermediate Similarity NPD2533 Approved
0.7297 Intermediate Similarity NPD2534 Approved
0.7297 Intermediate Similarity NPD2532 Approved
0.7273 Intermediate Similarity NPD1894 Discontinued
0.7273 Intermediate Similarity NPD4308 Phase 3
0.7266 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD3750 Approved
0.7252 Intermediate Similarity NPD9493 Approved
0.7248 Intermediate Similarity NPD5049 Phase 3
0.7241 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD3496 Discontinued
0.7226 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2438 Suspended
0.7222 Intermediate Similarity NPD290 Approved
0.7218 Intermediate Similarity NPD5585 Approved
0.7214 Intermediate Similarity NPD411 Approved
0.7211 Intermediate Similarity NPD2354 Approved
0.7209 Intermediate Similarity NPD7843 Approved
0.7209 Intermediate Similarity NPD5535 Approved
0.7208 Intermediate Similarity NPD2296 Approved
0.7206 Intermediate Similarity NPD5327 Phase 3
0.72 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD5536 Phase 2
0.719 Intermediate Similarity NPD7577 Discontinued
0.7183 Intermediate Similarity NPD4622 Approved
0.7183 Intermediate Similarity NPD447 Suspended
0.7183 Intermediate Similarity NPD4618 Approved
0.7183 Intermediate Similarity NPD1933 Approved
0.7176 Intermediate Similarity NPD7157 Approved
0.717 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD4947 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7768 Phase 2
0.7153 Intermediate Similarity NPD7033 Discontinued
0.7133 Intermediate Similarity NPD6651 Approved
0.7124 Intermediate Similarity NPD5890 Approved
0.7124 Intermediate Similarity NPD5889 Approved
0.7114 Intermediate Similarity NPD1511 Approved
0.7113 Intermediate Similarity NPD4060 Phase 1
0.7107 Intermediate Similarity NPD3926 Phase 2
0.7105 Intermediate Similarity NPD2651 Approved
0.7105 Intermediate Similarity NPD3226 Approved
0.7105 Intermediate Similarity NPD2649 Approved
0.7103 Intermediate Similarity NPD2531 Phase 2
0.7103 Intermediate Similarity NPD1551 Phase 2
0.7097 Intermediate Similarity NPD3817 Phase 2
0.7095 Intermediate Similarity NPD3295 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD1296 Phase 2
0.7089 Intermediate Similarity NPD6959 Discontinued
0.7086 Intermediate Similarity NPD3873 Phase 3
0.7086 Intermediate Similarity NPD3869 Phase 3
0.7083 Intermediate Similarity NPD5689 Approved
0.7083 Intermediate Similarity NPD743 Approved
0.7083 Intermediate Similarity NPD5688 Approved
0.7081 Intermediate Similarity NPD3818 Discontinued
0.7077 Intermediate Similarity NPD821 Approved
0.7073 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD3823 Discontinued
0.7051 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD5647 Approved
0.705 Intermediate Similarity NPD3690 Phase 2
0.705 Intermediate Similarity NPD3691 Phase 2
0.7042 Intermediate Similarity NPD6233 Phase 2
0.7042 Intermediate Similarity NPD4062 Phase 3
0.7039 Intermediate Similarity NPD957 Approved
0.7037 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5844 Phase 1
0.7032 Intermediate Similarity NPD2801 Approved
0.7027 Intermediate Similarity NPD4110 Phase 3
0.7027 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD594 Approved
0.7023 Intermediate Similarity NPD592 Approved
0.702 Intermediate Similarity NPD1512 Approved
0.702 Intermediate Similarity NPD2186 Approved
0.7014 Intermediate Similarity NPD2157 Approved
0.7012 Intermediate Similarity NPD6559 Discontinued
0.7007 Intermediate Similarity NPD2897 Discontinued
0.7007 Intermediate Similarity NPD5958 Discontinued
0.7007 Intermediate Similarity NPD1481 Phase 2
0.7006 Intermediate Similarity NPD3749 Approved
0.7 Intermediate Similarity NPD1137 Approved
0.7 Intermediate Similarity NPD1139 Approved
0.7 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD454 Approved
0.7 Intermediate Similarity NPD2861 Phase 2
0.6994 Remote Similarity NPD1729 Discontinued
0.6993 Remote Similarity NPD4140 Approved
0.6986 Remote Similarity NPD6099 Approved
0.6986 Remote Similarity NPD6100 Approved
0.6974 Remote Similarity NPD7427 Discontinued
0.6974 Remote Similarity NPD5403 Approved
0.6972 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6972 Remote Similarity NPD3764 Approved
0.6972 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6844 Discontinued
0.6966 Remote Similarity NPD7097 Phase 1

Structure

External Identifiers

PubChem CID   20056712
ChEMBL   CHEMBL2271143
ZINC  

Physicochemical Properties

Molecular Weight:  204.12
ALogP:  0.1769
MLogP:  2.67
XLogP:  2.806
# Rotatable Bonds:  5
Polar Surface Area:  26.3
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  15

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs